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Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(NC(=O)NC2=C(C=CC(=C2)[N+]([O-])=O)C(O)=O)C(C)=C1

InChIKey

InChIKey=UQBNMEJYZKQUDO-UHFFFAOYSA-N

Formula

C17H17N3O5

Mass

343.339

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Nitrobenzoate - N-phenylurea - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Vinylogous amide - C-nitro compound - Organic nitro compound - Urea - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic salt - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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